A1DA8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C2 | sing | 1.46Å | 1.46Å | |
| N1 | C23 | sing | 1.35Å | 1.34Å | |
| C2 | C3 | sing | 1.51Å | 1.53Å | |
| C2 | C4 | sing | 1.53Å | 1.50Å | |
| C3 | N6 | sing | 1.35Å | 1.34Å | |
| C3 | O7 | doub | 1.21Å | 1.18Å | |
| C4 | C5 | sing | 1.51Å | 1.51Å | |
| C5 | C26 | doub | 1.38Å | 1.39Å | Aromatic |
| C5 | C30 | sing | 1.38Å | 1.38Å | Aromatic |
| N6 | C8 | sing | 1.47Å | 1.44Å | |
| C8 | C9 | sing | 1.51Å | 1.56Å | |
| C8 | C10 | sing | 1.53Å | 1.57Å | |
| C9 | N12 | sing | 1.35Å | 1.35Å | |
| C9 | O13 | doub | 1.21Å | 1.21Å | |
| C10 | C11 | sing | 1.53Å | 1.52Å | |
| C11 | C34 | sing | 1.53Å | 1.50Å | |
| C11 | C35 | sing | 1.53Å | 1.51Å | |
| N12 | C14 | sing | 1.47Å | 1.46Å | |
| C14 | C15 | sing | 1.51Å | 1.54Å | |
| C14 | C16 | sing | 1.53Å | 1.53Å | |
| C15 | N41 | doub | 1.28Å | 1.25Å | |
| C16 | C17 | sing | 1.53Å | 1.54Å | |
| C17 | C18 | sing | 1.55Å | 1.54Å | |
| C17 | C21 | sing | 1.51Å | 1.52Å | |
| C18 | C19 | sing | 1.55Å | 1.55Å | |
| C19 | N20 | sing | 1.47Å | 1.45Å | |
| N20 | C21 | sing | 1.34Å | 1.35Å | |
| C21 | O22 | doub | 1.21Å | 1.19Å | |
| C23 | C24 | sing | 1.51Å | 1.54Å | |
| C23 | O25 | doub | 1.21Å | 1.20Å | |
| C24 | F31 | sing | 1.40Å | 1.32Å | |
| C24 | F32 | sing | 1.40Å | 1.31Å | |
| C24 | F33 | sing | 1.40Å | 1.31Å | |
| C26 | C27 | sing | 1.38Å | 1.39Å | Aromatic |
| C27 | C28 | doub | 1.38Å | 1.39Å | Aromatic |
| C28 | C29 | sing | 1.38Å | 1.38Å | Aromatic |
| C29 | C30 | doub | 1.38Å | 1.39Å | Aromatic |
| C34 | C35 | sing | 1.53Å | 1.49Å | |
| N1 | H44 | sing | 0.97Å | 1.00Å | |
| C4 | H46 | sing | 1.09Å | 1.10Å | |
| C4 | H47 | sing | 1.09Å | 1.10Å | |
| C8 | H49 | sing | 1.09Å | 1.10Å | |
| C10 | H50 | sing | 1.09Å | 1.10Å | |
| C10 | H51 | sing | 1.09Å | 1.10Å | |
| N12 | H53 | sing | 0.97Å | 1.00Å | |
| C15 | H1 | sing | 1.08Å | 1.08Å | |
| C17 | H57 | sing | 1.09Å | 1.10Å | |
| C26 | H63 | sing | 1.08Å | 1.08Å | |
| C28 | H65 | sing | 1.08Å | 1.08Å | |
| C11 | H52 | sing | 1.09Å | 1.10Å | |
| C14 | H54 | sing | 1.09Å | 1.10Å | |
| C16 | H55 | sing | 1.09Å | 1.10Å | |
| C16 | H56 | sing | 1.09Å | 1.10Å | |
| C18 | H59 | sing | 1.09Å | 1.10Å | |
| C18 | H58 | sing | 1.09Å | 1.10Å | |
| C19 | H61 | sing | 1.09Å | 1.10Å | |
| C19 | H60 | sing | 1.09Å | 1.10Å | |
| C2 | H45 | sing | 1.09Å | 1.10Å | |
| C27 | H64 | sing | 1.08Å | 1.08Å | |
| C29 | H66 | sing | 1.08Å | 1.08Å | |
| C30 | H67 | sing | 1.08Å | 1.08Å | |
| C34 | H68 | sing | 1.09Å | 1.10Å | |
| C34 | H69 | sing | 1.09Å | 1.10Å | |
| C35 | H71 | sing | 1.09Å | 1.10Å | |
| C35 | H70 | sing | 1.09Å | 1.10Å | |
| N20 | H62 | sing | 0.97Å | 1.00Å | |
| N41 | H4 | sing | 0.97Å | 1.00Å | |
| N6 | H48 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | N1 | C23 | 124.8° | 120.0° |
| N1 | C2 | C3 | 107.7° | 109.5° |
| N1 | C2 | C4 | 113.7° | 109.5° |
| C2 | N1 | H44 | 117.6° | 120.0° |
| N1 | C2 | H45 | 106.5° | 109.5° |
| N1 | C23 | C24 | 115.3° | 120.0° |
| N1 | C23 | O25 | 126.2° | 120.0° |
| C23 | N1 | H44 | 117.6° | 120.0° |
| C3 | C2 | C4 | 116.4° | 109.5° |
| C2 | C3 | N6 | 114.8° | 120.0° |
| C2 | C3 | O7 | 122.0° | 120.0° |
| C3 | C2 | H45 | 105.8° | 109.5° |
| C2 | C4 | C5 | 114.2° | 109.5° |
| C2 | C4 | H46 | 108.3° | 109.4° |
| C2 | C4 | H47 | 108.3° | 109.5° |
| C4 | C2 | H45 | 106.1° | 109.4° |
| N6 | C3 | O7 | 123.1° | 120.0° |
| C3 | N6 | C8 | 121.6° | 120.0° |
| C3 | N6 | H48 | 119.2° | 120.0° |
| C4 | C5 | C26 | 120.7° | 120.0° |
| C4 | C5 | C30 | 120.7° | 120.0° |
| C5 | C4 | H46 | 108.3° | 109.5° |
| C5 | C4 | H47 | 108.3° | 109.5° |
| C26 | C5 | C30 | 118.6° | 120.1° |
| C5 | C26 | C27 | 120.6° | 120.0° |
| C5 | C26 | H63 | 119.7° | 120.0° |
| C5 | C30 | C29 | 121.1° | 119.9° |
| C5 | C30 | H67 | 119.5° | 120.0° |
| N6 | C8 | C9 | 110.9° | 109.4° |
| N6 | C8 | C10 | 108.9° | 109.5° |
| N6 | C8 | H49 | 109.6° | 109.4° |
| C8 | N6 | H48 | 119.2° | 120.0° |
| C9 | C8 | C10 | 111.4° | 109.5° |
| C8 | C9 | N12 | 115.6° | 119.9° |
| C8 | C9 | O13 | 122.4° | 120.0° |
| C9 | C8 | H49 | 108.1° | 109.5° |
| C8 | C10 | C11 | 113.6° | 109.4° |
| C10 | C8 | H49 | 108.0° | 109.5° |
| C8 | C10 | H50 | 108.4° | 109.5° |
| C8 | C10 | H51 | 108.4° | 109.4° |
| N12 | C9 | O13 | 122.0° | 120.0° |
| C9 | N12 | C14 | 121.6° | 120.0° |
| C9 | N12 | H53 | 119.2° | 120.0° |
| C10 | C11 | C34 | 119.0° | 117.5° |
| C10 | C11 | C35 | 122.8° | 117.5° |
| C11 | C10 | H50 | 108.4° | 109.5° |
| C11 | C10 | H51 | 108.4° | 109.5° |
| C10 | C11 | H52 | 114.6° | 115.6° |
| C34 | C11 | C35 | 59.4° | 60.0° |
| C11 | C34 | C35 | 60.4° | 60.0° |
| C34 | C11 | H52 | 115.0° | 117.5° |
| C11 | C34 | H68 | 119.9° | 117.5° |
| C11 | C34 | H69 | 119.9° | 117.5° |
| C11 | C35 | C34 | 60.1° | 60.0° |
| C35 | C11 | H52 | 114.9° | 117.5° |
| C11 | C35 | H71 | 120.0° | 117.5° |
| C11 | C35 | H70 | 120.0° | 117.5° |
| N12 | C14 | C15 | 115.4° | 109.4° |
| N12 | C14 | C16 | 108.7° | 109.5° |
| C14 | N12 | H53 | 119.2° | 120.0° |
| N12 | C14 | H54 | 108.1° | 109.5° |
| C15 | C14 | C16 | 110.0° | 109.5° |
| C14 | C15 | N41 | 119.8° | 120.0° |
| C14 | C15 | H1 | 120.1° | 120.0° |
| C15 | C14 | H54 | 107.1° | 109.5° |
| C14 | C16 | C17 | 113.0° | 109.5° |
| C16 | C14 | H54 | 107.3° | 109.5° |
| C14 | C16 | H55 | 108.6° | 109.4° |
| C14 | C16 | H56 | 108.6° | 109.5° |
| N41 | C15 | H1 | 120.1° | 120.0° |
| C15 | N41 | H4 | 112.0° | 120.0° |
| C16 | C17 | C18 | 114.8° | 110.5° |
| C16 | C17 | C21 | 109.2° | 110.4° |
| C16 | C17 | H57 | 109.3° | 110.5° |
| C17 | C16 | H55 | 108.6° | 109.5° |
| C17 | C16 | H56 | 108.6° | 109.5° |
| C18 | C17 | C21 | 104.6° | 104.2° |
| C17 | C18 | C19 | 104.5° | 101.7° |
| C18 | C17 | H57 | 109.3° | 110.5° |
| C17 | C18 | H59 | 110.7° | 111.0° |
| C17 | C18 | H58 | 110.7° | 111.0° |
| C17 | C21 | N20 | 107.7° | 110.1° |
| C17 | C21 | O22 | 124.8° | 125.0° |
| C21 | C17 | H57 | 109.6° | 110.5° |
| C18 | C19 | N20 | 103.1° | 105.5° |
| C19 | C18 | H59 | 110.7° | 111.0° |
| C19 | C18 | H58 | 110.7° | 110.9° |
| C18 | C19 | H61 | 111.0° | 110.2° |
| C18 | C19 | H60 | 111.0° | 110.2° |
| C19 | N20 | C21 | 115.4° | 111.3° |
| N20 | C19 | H61 | 111.1° | 110.2° |
| N20 | C19 | H60 | 111.0° | 110.3° |
| C19 | N20 | H62 | 122.3° | 124.3° |
| N20 | C21 | O22 | 127.4° | 124.9° |
| C21 | N20 | H62 | 122.3° | 124.3° |
| C24 | C23 | O25 | 118.5° | 120.0° |
| C23 | C24 | F31 | 113.3° | 109.5° |
| C23 | C24 | F32 | 110.2° | 109.5° |
| C23 | C24 | F33 | 109.5° | 109.5° |
| F31 | C24 | F32 | 107.4° | 109.4° |
| F31 | C24 | F33 | 107.9° | 109.5° |
| F32 | C24 | F33 | 108.5° | 109.5° |
| C26 | C27 | C28 | 120.0° | 120.0° |
| C27 | C26 | H63 | 119.7° | 120.0° |
| C26 | C27 | H64 | 120.0° | 120.0° |
| C27 | C28 | C29 | 119.8° | 120.0° |
| C27 | C28 | H65 | 120.1° | 120.0° |
| C28 | C27 | H64 | 120.0° | 120.0° |
| C28 | C29 | C30 | 119.9° | 120.0° |
| C29 | C28 | H65 | 120.1° | 120.0° |
| C28 | C29 | H66 | 120.0° | 120.0° |
| C30 | C29 | H66 | 120.1° | 119.9° |
| C29 | C30 | H67 | 119.5° | 120.0° |
| C35 | C34 | H68 | 119.9° | 117.5° |
| C35 | C34 | H69 | 119.9° | 117.5° |
| C34 | C35 | H71 | 120.0° | 117.5° |
| C34 | C35 | H70 | 120.0° | 117.5° |
| H46 | C4 | H47 | 109.5° | 109.5° |
| H50 | C10 | H51 | 109.5° | 109.5° |
| H55 | C16 | H56 | 109.4° | 109.5° |
| H59 | C18 | H58 | 109.5° | 110.9° |
| H61 | C19 | H60 | 109.5° | 110.3° |
| H68 | C34 | H69 | 109.5° | 115.5° |
| H71 | C35 | H70 | 109.5° | 115.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | N1 | C23 | H44 | 180.0° | 179.7° |
| N1 | C2 | C3 | C4 | 129.0° | 120.0° |
| N1 | C2 | C3 | H45 | 113.6° | 120.1° |
| N1 | C2 | C4 | H45 | 116.7° | 120.0° |
| N1 | C2 | C3 | N6 | 162.8° | 160.0° |
| N1 | C2 | C3 | O7 | 15.2° | 19.9° |
| N1 | C2 | C4 | C5 | 64.8° | 65.0° |
| C2 | N1 | C23 | C24 | 179.8° | 180.0° |
| C2 | N1 | C23 | O25 | 0.3° | 0.0° |
| N1 | C2 | C4 | H46 | 174.5° | 55.0° |
| N1 | C2 | C4 | H47 | 55.9° | 175.0° |
| C23 | N1 | C2 | C3 | 100.1° | 60.0° |
| C23 | N1 | C2 | C4 | 129.4° | 60.0° |
| N1 | C23 | C24 | O25 | 180.0° | 180.0° |
| N1 | C23 | C24 | F31 | 21.3° | 180.0° |
| N1 | C23 | C24 | F32 | 99.1° | 60.0° |
| N1 | C23 | C24 | F33 | 141.7° | 60.0° |
| C23 | N1 | C2 | H45 | 13.0° | 180.0° |
| C3 | C2 | C4 | H45 | 117.3° | 120.0° |
| C2 | C3 | N6 | O7 | 178.0° | 179.9° |
| C3 | C2 | C4 | C5 | 169.2° | 175.0° |
| C2 | C3 | N6 | C8 | 178.5° | 180.0° |
| C3 | C2 | N1 | H44 | 79.9° | 119.7° |
| C3 | C2 | C4 | H46 | 48.5° | 65.0° |
| C3 | C2 | C4 | H47 | 70.1° | 55.0° |
| C2 | C3 | N6 | H48 | 1.5° | 0.1° |
| C4 | C2 | C3 | N6 | 68.2° | 80.0° |
| C4 | C2 | C3 | O7 | 113.8° | 100.1° |
| C2 | C4 | C5 | H46 | 120.7° | 120.0° |
| C2 | C4 | C5 | H47 | 120.7° | 120.0° |
| C2 | C4 | C5 | C26 | 93.0° | 90.0° |
| C2 | C4 | C5 | C30 | 86.9° | 90.3° |
| C4 | C2 | N1 | H44 | 50.6° | 120.3° |
| C2 | C4 | H46 | H47 | 117.8° | 120.0° |
| C3 | N6 | C8 | H48 | 180.0° | 179.9° |
| C3 | N6 | C8 | C9 | 52.5° | 155.0° |
| C3 | N6 | C8 | C10 | 175.4° | 85.0° |
| C3 | N6 | C8 | H49 | 66.7° | 35.1° |
| N6 | C3 | C2 | H45 | 49.2° | 39.9° |
| O7 | C3 | N6 | C8 | 0.5° | 0.1° |
| O7 | C3 | C2 | H45 | 128.8° | 140.0° |
| O7 | C3 | N6 | H48 | 179.4° | 180.0° |
| C4 | C5 | C26 | C30 | 180.0° | 179.7° |
| C4 | C5 | C26 | C27 | 179.1° | 180.0° |
| C4 | C5 | C30 | C29 | 179.2° | 180.0° |
| C5 | C4 | H46 | H47 | 117.8° | 120.0° |
| C4 | C5 | C26 | H63 | 0.9° | 0.1° |
| C5 | C4 | C2 | H45 | 51.8° | 55.0° |
| C4 | C5 | C30 | H67 | 0.8° | 0.0° |
| C5 | C26 | C27 | H63 | 180.0° | 179.9° |
| C5 | C26 | C27 | C28 | 0.7° | 0.1° |
| C26 | C5 | C30 | C29 | 0.8° | 0.3° |
| C26 | C5 | C4 | H46 | 27.7° | 150.0° |
| C26 | C5 | C4 | H47 | 146.3° | 30.0° |
| C5 | C26 | C27 | H64 | 179.3° | 180.0° |
| C26 | C5 | C30 | H67 | 179.2° | 179.7° |
| C30 | C5 | C26 | C27 | 0.9° | 0.4° |
| C5 | C30 | C29 | C28 | 0.5° | 0.0° |
| C5 | C30 | C29 | H67 | 180.0° | 180.0° |
| C30 | C5 | C4 | H46 | 152.4° | 29.7° |
| C30 | C5 | C4 | H47 | 33.8° | 149.7° |
| C30 | C5 | C26 | H63 | 179.1° | 179.8° |
| C5 | C30 | C29 | H66 | 179.5° | 180.0° |
| N6 | C8 | C9 | C10 | 121.4° | 120.0° |
| N6 | C8 | C9 | H49 | 120.1° | 119.9° |
| N6 | C8 | C10 | H49 | 118.9° | 120.0° |
| N6 | C8 | C9 | N12 | 132.0° | 180.0° |
| N6 | C8 | C9 | O13 | 48.2° | 0.1° |
| N6 | C8 | C10 | C11 | 66.9° | 65.0° |
| N6 | C8 | C10 | H50 | 53.7° | 55.0° |
| N6 | C8 | C10 | H51 | 172.5° | 175.0° |
| C9 | C8 | C10 | H49 | 118.5° | 120.1° |
| C8 | C9 | N12 | O13 | 179.8° | 180.0° |
| C9 | C8 | C10 | C11 | 170.5° | 175.0° |
| C8 | C9 | N12 | C14 | 180.0° | 180.0° |
| C9 | C8 | C10 | H50 | 68.9° | 65.0° |
| C9 | C8 | C10 | H51 | 49.9° | 55.0° |
| C8 | C9 | N12 | H53 | 0.0° | 0.1° |
| C9 | C8 | N6 | H48 | 127.4° | 25.1° |
| C10 | C8 | C9 | N12 | 106.6° | 60.0° |
| C10 | C8 | C9 | O13 | 73.2° | 120.0° |
| C8 | C10 | C11 | H50 | 120.6° | 120.0° |
| C8 | C10 | C11 | H51 | 120.6° | 120.0° |
| C8 | C10 | C11 | C34 | 67.2° | 175.0° |
| C8 | C10 | C11 | C35 | 137.7° | 116.4° |
| C8 | C10 | H50 | H51 | 118.1° | 120.0° |
| C8 | C10 | C11 | H52 | 74.5° | 29.3° |
| C10 | C8 | N6 | H48 | 4.6° | 94.9° |
| C9 | N12 | C14 | H53 | 180.0° | 179.9° |
| C9 | N12 | C14 | C15 | 120.6° | 86.9° |
| C9 | N12 | C14 | C16 | 115.3° | 153.1° |
| N12 | C9 | C8 | H49 | 11.9° | 60.1° |
| C9 | N12 | C14 | H54 | 0.8° | 33.1° |
| O13 | C9 | N12 | C14 | 0.2° | 0.0° |
| O13 | C9 | C8 | H49 | 168.4° | 120.0° |
| O13 | C9 | N12 | H53 | 179.8° | 180.0° |
| C10 | C11 | C34 | C35 | 113.1° | 107.5° |
| C10 | C11 | C34 | H52 | 141.6° | 145.0° |
| C10 | C11 | C35 | H52 | 147.8° | 145.1° |
| C11 | C10 | C8 | H49 | 52.0° | 55.0° |
| C11 | C10 | H50 | H51 | 118.1° | 120.0° |
| C10 | C11 | C34 | H68 | 3.5° | 0.0° |
| C10 | C11 | C34 | H69 | 137.3° | 145.0° |
| C10 | C11 | C35 | H71 | 143.7° | 145.0° |
| C10 | C11 | C35 | H70 | 2.7° | 0.0° |
| C34 | C11 | C35 | H52 | 105.5° | 107.4° |
| C11 | C34 | C35 | H68 | 109.6° | 107.5° |
| C11 | C34 | C35 | H69 | 109.6° | 107.5° |
| C34 | C11 | C10 | H50 | 172.1° | 65.0° |
| C34 | C11 | C10 | H51 | 53.4° | 55.1° |
| C11 | C34 | H68 | H69 | 144.5° | 145.7° |
| C34 | C11 | C35 | H71 | 109.5° | 107.5° |
| C34 | C11 | C35 | H70 | 109.5° | 107.5° |
| C35 | C11 | C10 | H50 | 101.7° | 3.6° |
| C35 | C11 | C10 | H51 | 17.1° | 123.6° |
| C11 | C35 | H71 | H70 | 144.6° | 145.6° |
| N12 | C14 | C15 | C16 | 123.3° | 120.0° |
| N12 | C14 | C15 | H54 | 120.4° | 120.0° |
| N12 | C14 | C16 | H54 | 116.6° | 120.0° |
| N12 | C14 | C15 | N41 | 165.4° | 0.0° |
| N12 | C14 | C16 | C17 | 70.9° | 65.1° |
| N12 | C14 | C15 | H1 | 14.6° | 180.0° |
| N12 | C14 | C16 | H55 | 49.6° | 175.0° |
| N12 | C14 | C16 | H56 | 168.5° | 54.9° |
| C15 | C14 | C16 | H54 | 116.2° | 120.0° |
| C14 | C15 | N41 | H1 | 180.0° | 180.0° |
| C15 | C14 | C16 | C17 | 161.9° | 175.0° |
| C15 | C14 | N12 | H53 | 59.3° | 93.2° |
| C15 | C14 | C16 | H55 | 77.6° | 55.0° |
| C15 | C14 | C16 | H56 | 41.3° | 65.0° |
| C14 | C15 | N41 | H4 | 180.0° | 180.0° |
| C16 | C14 | C15 | N41 | 71.2° | 120.0° |
| C14 | C16 | C17 | H55 | 120.5° | 120.0° |
| C14 | C16 | C17 | H56 | 120.5° | 120.0° |
| C14 | C16 | C17 | C18 | 62.9° | 65.0° |
| C14 | C16 | C17 | C21 | 179.8° | 179.8° |
| C16 | C14 | N12 | H53 | 64.7° | 26.8° |
| C16 | C14 | C15 | H1 | 108.8° | 60.0° |
| C14 | C16 | C17 | H57 | 60.3° | 57.6° |
| C14 | C16 | H55 | H56 | 118.4° | 120.0° |
| N41 | C15 | C14 | H54 | 45.1° | 120.0° |
| C16 | C17 | C18 | C21 | 119.6° | 118.6° |
| C16 | C17 | C18 | H57 | 123.2° | 122.7° |
| C16 | C17 | C21 | H57 | 119.6° | 122.6° |
| C16 | C17 | C18 | C19 | 140.1° | 143.5° |
| C16 | C17 | C21 | N20 | 136.3° | 135.0° |
| C16 | C17 | C21 | O22 | 43.0° | 45.1° |
| C17 | C16 | C14 | H54 | 45.7° | 55.0° |
| C17 | C16 | H55 | H56 | 118.4° | 120.0° |
| C16 | C17 | C18 | H59 | 20.9° | 25.4° |
| C16 | C17 | C18 | H58 | 100.7° | 98.5° |
| C18 | C17 | C21 | H57 | 117.1° | 118.7° |
| C17 | C18 | C19 | H59 | 119.2° | 118.1° |
| C17 | C18 | C19 | H58 | 119.2° | 118.1° |
| C17 | C18 | C19 | N20 | 20.5° | 25.4° |
| C18 | C17 | C21 | N20 | 13.0° | 16.3° |
| C18 | C17 | C21 | O22 | 166.3° | 163.8° |
| C18 | C17 | C16 | H55 | 176.6° | 54.9° |
| C18 | C17 | C16 | H56 | 57.7° | 175.0° |
| C17 | C18 | H59 | H58 | 122.3° | 123.9° |
| C17 | C18 | C19 | H61 | 139.5° | 144.4° |
| C17 | C18 | C19 | H60 | 98.4° | 93.6° |
| C21 | C17 | C18 | C19 | 20.5° | 24.8° |
| C17 | C21 | N20 | C19 | 0.6° | 0.4° |
| C17 | C21 | N20 | O22 | 179.3° | 179.9° |
| C21 | C17 | C16 | H55 | 59.6° | 59.8° |
| C21 | C17 | C16 | H56 | 59.3° | 60.2° |
| C21 | C17 | C18 | H59 | 98.6° | 93.3° |
| C21 | C17 | C18 | H58 | 139.7° | 142.9° |
| C17 | C21 | N20 | H62 | 179.4° | 179.6° |
| C18 | C19 | N20 | H61 | 119.0° | 118.9° |
| C18 | C19 | N20 | H60 | 119.0° | 119.0° |
| C18 | C19 | N20 | C21 | 13.7° | 17.0° |
| C19 | C18 | C17 | H57 | 96.7° | 93.9° |
| C19 | C18 | H59 | H58 | 122.3° | 123.8° |
| C18 | C19 | H61 | H60 | 122.9° | 122.0° |
| C18 | C19 | N20 | H62 | 166.3° | 163.0° |
| C19 | N20 | C21 | H62 | 180.0° | 180.0° |
| C19 | N20 | C21 | O22 | 179.9° | 179.5° |
| N20 | C19 | C18 | H59 | 98.7° | 92.7° |
| N20 | C19 | C18 | H58 | 139.7° | 143.5° |
| N20 | C19 | H61 | H60 | 122.9° | 122.0° |
| N20 | C21 | C17 | H57 | 104.1° | 102.4° |
| C21 | N20 | C19 | H61 | 132.7° | 136.0° |
| C21 | N20 | C19 | H60 | 105.3° | 102.0° |
| O22 | C21 | C17 | H57 | 76.6° | 77.5° |
| O22 | C21 | N20 | H62 | 0.1° | 0.5° |
| C23 | C24 | F31 | F32 | 121.9° | 120.0° |
| C23 | C24 | F31 | F33 | 121.3° | 120.0° |
| C23 | C24 | F32 | F33 | 119.8° | 120.0° |
| C24 | C23 | N1 | H44 | 0.2° | 0.3° |
| O25 | C23 | C24 | F31 | 158.7° | 0.0° |
| O25 | C23 | C24 | F32 | 80.9° | 120.0° |
| O25 | C23 | C24 | F33 | 38.3° | 120.0° |
| O25 | C23 | N1 | H44 | 179.8° | 179.7° |
| F31 | C24 | F32 | F33 | 116.3° | 120.0° |
| C26 | C27 | C28 | H64 | 180.0° | 179.9° |
| C26 | C27 | C28 | C29 | 0.4° | 0.2° |
| C26 | C27 | C28 | H65 | 179.6° | 179.9° |
| C27 | C28 | C29 | H65 | 180.0° | 179.7° |
| C27 | C28 | C29 | C30 | 0.3° | 0.2° |
| C28 | C27 | C26 | H63 | 179.3° | 180.0° |
| C27 | C28 | C29 | H66 | 179.7° | 179.8° |
| C28 | C29 | C30 | H66 | 180.0° | 180.0° |
| C29 | C28 | C27 | H64 | 179.6° | 179.7° |
| C28 | C29 | C30 | H67 | 179.5° | 180.0° |
| C30 | C29 | C28 | H65 | 179.7° | 179.9° |
| C35 | C34 | H68 | H69 | 144.5° | 145.7° |
| C34 | C35 | H71 | H70 | 144.7° | 145.7° |
| H44 | N1 | C2 | H45 | 167.0° | 0.3° |
| H46 | C4 | C2 | H45 | 68.9° | 175.0° |
| H47 | C4 | C2 | H45 | 172.5° | 65.0° |
| H49 | C8 | C10 | H50 | 172.6° | 175.0° |
| H49 | C8 | C10 | H51 | 68.6° | 65.0° |
| H49 | C8 | N6 | H48 | 113.3° | 145.0° |
| H50 | C10 | C11 | H52 | 46.1° | 149.3° |
| H51 | C10 | C11 | H52 | 164.9° | 90.6° |
| H53 | N12 | C14 | H54 | 179.2° | 146.9° |
| H1 | C15 | C14 | H54 | 135.0° | 60.0° |
| H1 | C15 | N41 | H4 | 0.0° | 0.0° |
| H57 | C17 | C16 | H55 | 60.2° | 177.6° |
| H57 | C17 | C16 | H56 | 179.1° | 62.4° |
| H57 | C17 | C18 | H59 | 144.1° | 148.0° |
| H57 | C17 | C18 | H58 | 22.5° | 24.2° |
| H63 | C26 | C27 | H64 | 0.7° | 0.1° |
| H65 | C28 | C27 | H64 | 0.4° | 0.0° |
| H65 | C28 | C29 | H66 | 0.3° | 0.1° |
| H52 | C11 | C34 | H68 | 145.1° | 145.0° |
| H52 | C11 | C34 | H69 | 4.3° | 0.0° |
| H52 | C11 | C35 | H71 | 4.1° | 0.1° |
| H52 | C11 | C35 | H70 | 145.0° | 145.1° |
| H54 | C14 | C16 | H55 | 166.2° | 65.0° |
| H54 | C14 | C16 | H56 | 74.9° | 175.0° |
| H59 | C18 | C19 | H61 | 20.3° | 26.3° |
| H59 | C18 | C19 | H60 | 142.4° | 148.3° |
| H58 | C18 | C19 | H61 | 101.3° | 97.5° |
| H58 | C18 | C19 | H60 | 20.8° | 24.5° |
| H61 | C19 | N20 | H62 | 47.2° | 44.0° |
| H60 | C19 | N20 | H62 | 74.8° | 78.0° |
| H66 | C29 | C30 | H67 | 0.5° | 0.0° |
| H68 | C34 | C35 | H71 | 140.9° | 145.0° |
| H68 | C34 | C35 | H70 | 0.1° | 0.1° |
| H69 | C34 | C35 | H71 | 0.1° | 0.1° |
| H69 | C34 | C35 | H70 | 140.9° | 145.0° |
